Chem
J-GLOBAL ID:200907079242294004   Nikkaji number:J176.778J

Kadzusapogenol A

カズサポゲノールA
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C30H50O5
Molecular formula furigana: C30-H50-O5
Molecular weight: 490.725
InChI: InChI=1S/C30H50O5/c1-25(16-31)15-19-18-7-8-21-27(3)11-10-22(33)28(4,17-32)20(27)9-12-30(21,6)29(18,5)14-13-26(19,2)24(35)23(25)34/h7,19-24,31-35H,8-17H2,1-6H3/t19-,20+,21+,22-,23-,24+,25+,26+,27-,28+,29+,30+/m0/s1
InChI key: TVXOVTFPCNWYNK-WBTRRIRNSA-N
SMILES: C[C@]1(CO)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)[C@H](O)[C@@H]1O
Systematic name  (3):
  • (+)-オレアナ-12-エン-3β,21β,22β,24,29-ペンタオール
  • (2R,3R,4S,4aR,6aS,6bR,8aR,9S,10S,12aR,12bR,14bS)-2,9-ビス(ヒドロキシメチル)-2,4a,6a,6b,9,12a-ヘキサメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-イコサヒドロピセン-3,4,10-トリオール
  • (2R,3R,4S,4aR,6aS,6bR,8aR,9S,10S,12aR,12bR,14bS)-2,9-bis(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-3,4,10-triol
Other name (9):
  • カズサポゲノールA
  • (+)-カズサポゲノールA
  • Kadzusapogenol A
  • (+)-クズサポゲノールA
  • (+)-Kudzusapogenol A
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CAS registry number: 96820-46-1
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